#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180387 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/56/7205689.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7205689
loop_
_publ_author_name
'Su, Shengqun'
'Qin, Chao'
'Guo, Zhiyong'
'Guo, Huadong'
'Song, Shuyan'
'Deng, Ruiping'
'Cao, Feng'
'Wang, Song'
'Li, Guanghua'
'Zhang, Hongjie'
_publ_section_title
;
 Five three/two-fold interpenetrating architectures from self-assembly
 of fluorene-2,7-dicarboxylic acid derivatives and d10 metals
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              2935
_journal_paper_doi               10.1039/c0ce00662a
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety         'C50.75 H43.75 N4.25 O8.25 Zn2'
_chemical_formula_sum            'C50.75 H43.75 N4.25 O8.25 Zn2'
_chemical_formula_weight         975.89
_chemical_melting_point          ?
_chemical_name_systematic
;
?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.4010(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.3836(7)
_cell_length_b                   21.5307(10)
_cell_length_c                   15.7987(7)
_cell_measurement_reflns_used    5304
_cell_measurement_temperature    185(2)
_cell_measurement_theta_max      26.11
_cell_measurement_theta_min      1.89
_cell_volume                     5200.2(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      185(2)
_diffrn_detector_area_resol_mean 9.00cm
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_sigmaI/netI    0.0352
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14572
_diffrn_reflns_theta_full        26.11
_diffrn_reflns_theta_max         26.11
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    0.976
_exptl_absorpt_correction_T_max  0.8675
_exptl_absorpt_correction_T_min  0.8288
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2016
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.286
_refine_diff_density_min         -0.607
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         5304
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.151
_refine_ls_R_factor_all          0.0643
_refine_ls_R_factor_gt           0.0511
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0975P)²+21.7045P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1763
_refine_ls_wR_factor_ref         0.1861
_reflns_number_gt                4229
_reflns_number_total             5304
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0ce00662a.txt
_cod_data_source_block           m4
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               7205689
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.94966(4) 0.0000 0.57430(4) 0.01658(19) Uani 1 2 d S . .
Zn2 Zn 0.07497(4) 0.0000 0.95126(4) 0.01692(19) Uani 1 2 d S . .
C1 C 1.1416(4) 0.1610(2) 0.6990(3) 0.0461(14) Uani 1 1 d . . .
H1A H 1.1001 0.1443 0.7331 0.055 Uiso 1 1 calc R . .
C2 C 1.1476(3) 0.1376(2) 0.6180(3) 0.0343(10) Uani 1 1 d . . .
C3 C 1.2083(4) 0.1619(3) 0.5692(3) 0.0485(14) Uani 1 1 d . . .
H3A H 1.2122 0.1457 0.5138 0.058 Uiso 1 1 calc R . .
C4 C 1.2634(4) 0.2093(3) 0.5996(3) 0.0556(17) Uani 1 1 d . . .
H4A H 1.3048 0.2260 0.5654 0.067 Uiso 1 1 calc R . .
C5 C 1.3764(3) 0.3171(2) 0.7071(3) 0.0433(13) Uani 1 1 d . . .
H5A H 1.3974 0.3127 0.6530 0.052 Uiso 1 1 calc R . .
C6 C 1.4138(3) 0.3594(2) 0.7654(3) 0.0360(11) Uani 1 1 d . . .
H6A H 1.4618 0.3839 0.7519 0.043 Uiso 1 1 calc R . .
C7 C 1.3821(3) 0.36661(19) 0.8438(3) 0.0273(9) Uani 1 1 d . . .
C8 C 1.3115(3) 0.3314(2) 0.8641(3) 0.0367(11) Uani 1 1 d . . .
H8A H 1.2884 0.3372 0.9169 0.044 Uiso 1 1 calc R . .
C9 C 1.2028(4) 0.2416(3) 0.8153(3) 0.067(2) Uani 1 1 d D . .
C10 C 1.1964(4) 0.2090(2) 0.7299(3) 0.0434(13) Uani 1 1 d . . .
C11 C 1.2577(3) 0.2324(2) 0.6807(3) 0.0369(11) Uani 1 1 d . . .
C12 C 1.3077(3) 0.2810(2) 0.7284(3) 0.0339(10) Uani 1 1 d . A .
C13 C 1.2753(3) 0.2879(2) 0.8065(3) 0.0363(11) Uani 1 1 d . A .
C18 C 1.0894(3) 0.0855(2) 0.5830(3) 0.0296(9) Uani 1 1 d . . .
C19 C 1.4230(3) 0.41502(18) 0.9042(3) 0.0270(9) Uani 1 1 d . . .
C20 C 0.8497(4) 0.0000 0.7259(4) 0.0272(13) Uani 1 2 d S . .
H20A H 0.9060 0.0000 0.7574 0.033 Uiso 1 2 calc SR . .
C21 C 0.7770(4) 0.0000 0.7696(4) 0.0330(14) Uani 1 2 d S . .
H21A H 0.7833 0.0000 0.8302 0.040 Uiso 1 2 calc SR . .
C22 C 0.6956(4) 0.0000 0.7248(4) 0.0361(15) Uani 1 2 d S . .
C23 C 0.6890(5) 0.0000 0.6355(5) 0.058(2) Uani 1 2 d S . .
H23A H 0.6335 0.0000 0.6023 0.069 Uiso 1 2 calc SR . .
C24 C 0.7646(4) 0.0000 0.5977(4) 0.049(2) Uani 1 2 d S . .
H24A H 0.7605 0.0000 0.5373 0.059 Uiso 1 2 calc SR . .
C25 C 0.6164(5) 0.0000 0.7707(5) 0.0472(19) Uani 1 2 d S . .
H25A H 0.6223 0.0000 0.8312 0.057 Uiso 1 2 calc SR . .
C26 C 0.4000(5) 0.0000 0.7442(5) 0.0477(19) Uani 1 2 d S . .
H26A H 0.3932 0.0000 0.6837 0.057 Uiso 1 2 calc SR . .
C27 C 0.3223(4) 0.0000 0.7909(4) 0.0374(15) Uani 1 2 d S . .
C28 C 0.3318(4) 0.0000 0.8795(5) 0.0402(16) Uani 1 2 d S . .
H28A H 0.3882 0.0000 0.9108 0.048 Uiso 1 2 calc SR . .
C29 C 0.2575(4) 0.0000 0.9213(4) 0.0353(15) Uani 1 2 d S . .
H29A H 0.2640 0.0000 0.9818 0.042 Uiso 1 2 calc SR . .
C30 C 0.1690(4) 0.0000 0.7959(4) 0.0377(16) Uani 1 2 d S . .
H30A H 0.1118 0.0000 0.7662 0.045 Uiso 1 2 calc SR . .
C31 C 0.2399(5) 0.0000 0.7488(5) 0.0456(18) Uani 1 2 d S . .
H31A H 0.2312 0.0000 0.6883 0.055 Uiso 1 2 calc SR . .
N1 N 0.8443(3) 0.0000 0.6414(3) 0.0229(10) Uani 1 2 d S . .
N2 N 0.5408(4) 0.0000 0.7288(4) 0.058(2) Uani 1 2 d S . .
N3 N 0.4751(4) 0.0000 0.7842(4) 0.0576(19) Uani 1 2 d S . .
N4 N 0.1772(3) 0.0000 0.8800(3) 0.0240(10) Uani 1 2 d S . .
O1 O 1.0329(2) 0.06569(14) 0.62809(19) 0.0337(7) Uani 1 1 d . . .
O2 O 1.1011(2) 0.06562(16) 0.5107(2) 0.0404(8) Uani 1 1 d . . .
O3 O 1.4968(2) 0.43515(15) 0.8898(2) 0.0386(8) Uani 1 1 d . . .
O4 O 1.3806(2) 0.43332(14) 0.9629(2) 0.0347(7) Uani 1 1 d . . .
C14 C 1.0837(8) 0.3230(5) 0.7479(7) 0.0703(18) Uani 0.60 1 d PD A 1
H14A H 1.0284 0.3430 0.7575 0.105 Uiso 0.60 1 calc PR A 1
H14B H 1.0759 0.2997 0.6944 0.105 Uiso 0.60 1 calc PR A 1
H14C H 1.1289 0.3548 0.7448 0.105 Uiso 0.60 1 calc PR A 1
C15 C 1.1120(8) 0.2783(6) 0.8222(8) 0.0703(18) Uani 0.60 1 d PD A 1
H15A H 1.0649 0.2473 0.8256 0.084 Uiso 0.60 1 calc PR A 1
H15B H 1.1177 0.3023 0.8759 0.084 Uiso 0.60 1 calc PR A 1
C16 C 1.2882(9) 0.1700(6) 0.8956(8) 0.0703(18) Uani 0.60 1 d PD A 1
H16A H 1.2938 0.1432 0.9460 0.105 Uiso 0.60 1 calc PR A 1
H16B H 1.3364 0.2001 0.9001 0.105 Uiso 0.60 1 calc PR A 1
H16C H 1.2903 0.1446 0.8444 0.105 Uiso 0.60 1 calc PR A 1
C17 C 1.2033(8) 0.2039(6) 0.8900(7) 0.0703(18) Uani 0.60 1 d PD A 1
H17A H 1.1536 0.1744 0.8843 0.084 Uiso 0.60 1 calc PR A 1
H17B H 1.1998 0.2299 0.9411 0.084 Uiso 0.60 1 calc PR A 1
C14' C 1.0878(14) 0.2996(8) 0.7947(12) 0.0703(18) Uani 0.40 1 d PD A 2
H14D H 1.0328 0.3144 0.8135 0.105 Uiso 0.40 1 calc PR A 2
H14E H 1.0758 0.2795 0.7390 0.105 Uiso 0.40 1 calc PR A 2
H14F H 1.1273 0.3349 0.7902 0.105 Uiso 0.40 1 calc PR A 2
C15' C 1.1303(11) 0.2532(8) 0.8591(11) 0.0703(18) Uani 0.40 1 d PD A 2
H15C H 1.1466 0.2718 0.9159 0.084 Uiso 0.40 1 calc PR A 2
H15D H 1.0939 0.2157 0.8642 0.084 Uiso 0.40 1 calc PR A 2
C16' C 1.3385(11) 0.1643(8) 0.8760(11) 0.0703(18) Uani 0.40 1 d PD A 2
H16D H 1.3561 0.1349 0.9222 0.105 Uiso 0.40 1 calc PR A 2
H16E H 1.3808 0.1984 0.8779 0.105 Uiso 0.40 1 calc PR A 2
H16F H 1.3368 0.1429 0.8211 0.105 Uiso 0.40 1 calc PR A 2
C17' C 1.2452(11) 0.1910(8) 0.8869(11) 0.0703(18) Uani 0.40 1 d PD A 2
H17C H 1.2480 0.2109 0.9436 0.084 Uiso 0.40 1 calc PR A 2
H17D H 1.2042 0.1555 0.8871 0.084 Uiso 0.40 1 calc PR A 2
C32 C 0.5538(15) -0.1042(10) 0.4553(14) 0.048(3) Uiso 0.25 1 d P . .
C33 C 0.5000 -0.2068(15) 0.5000 0.048(3) Uiso 0.25 2 d SP . .
N5 N 0.5000 -0.1341(12) 0.5000 0.048(3) Uiso 0.25 2 d SP . .
O5 O 0.5960(19) -0.0580(14) 0.4535(19) 0.048(3) Uiso 0.13 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Zn1 O1 88.37(19) . 6 ?
O1 Zn1 N1 106.49(13) . . ?
O1 Zn1 N1 106.49(13) 6 . ?
O1 Zn1 O2 159.09(13) . 5_756 ?
O1 Zn1 O2 88.31(14) 6 5_756 ?
N1 Zn1 O2 94.24(13) . 5_756 ?
O1 Zn1 O2 88.31(14) . 2_756 ?
O1 Zn1 O2 159.09(13) 6 2_756 ?
N1 Zn1 O2 94.24(13) . 2_756 ?
O2 Zn1 O2 87.5(2) 5_756 2_756 ?
O1 Zn1 Zn1 88.32(9) . 5_756 ?
O1 Zn1 Zn1 88.32(9) 6 5_756 ?
N1 Zn1 Zn1 159.02(14) . 5_756 ?
O2 Zn1 Zn1 70.95(9) 5_756 5_756 ?
O2 Zn1 Zn1 70.95(9) 2_756 5_756 ?
O3 Zn2 O3 87.5(2) 3_345 8_355 ?
O3 Zn2 N4 100.96(14) 3_345 . ?
O3 Zn2 N4 100.96(14) 8_355 . ?
O3 Zn2 O4 160.67(14) 3_345 7_657 ?
O3 Zn2 O4 88.30(14) 8_355 7_657 ?
N4 Zn2 O4 98.37(13) . 7_657 ?
O3 Zn2 O4 88.30(14) 3_345 4_647 ?
O3 Zn2 O4 160.67(14) 8_355 4_647 ?
N4 Zn2 O4 98.37(13) . 4_647 ?
O4 Zn2 O4 89.47(19) 7_657 4_647 ?
O3 Zn2 Zn2 77.87(10) 3_345 5_557 ?
O3 Zn2 Zn2 77.87(10) 8_355 5_557 ?
N4 Zn2 Zn2 178.34(15) . 5_557 ?
O4 Zn2 Zn2 82.80(9) 7_657 5_557 ?
O4 Zn2 Zn2 82.80(9) 4_647 5_557 ?
C10 C1 C2 119.7(4) . . ?
C10 C1 H1A 120.2 . . ?
C2 C1 H1A 120.2 . . ?
C3 C2 C1 119.7(4) . . ?
C3 C2 C18 119.4(4) . . ?
C1 C2 C18 120.9(4) . . ?
C2 C3 C4 121.0(4) . . ?
C2 C3 H3A 119.5 . . ?
C4 C3 H3A 119.5 . . ?
C3 C4 C11 119.2(4) . . ?
C3 C4 H4A 120.4 . . ?
C11 C4 H4A 120.4 . . ?
C6 C5 C12 118.9(4) . . ?
C6 C5 H5A 120.6 . . ?
C12 C5 H5A 120.6 . . ?
C5 C6 C7 120.6(4) . . ?
C5 C6 H6A 119.7 . . ?
C7 C6 H6A 119.7 . . ?
C6 C7 C8 120.3(4) . . ?
C6 C7 C19 118.6(4) . . ?
C8 C7 C19 121.0(4) . . ?
C13 C8 C7 119.1(4) . . ?
C13 C8 H8A 120.4 . . ?
C7 C8 H8A 120.4 . . ?
C15' C9 C17 67.9(9) . . ?
C15' C9 C13 124.4(8) . . ?
C17 C9 C13 120.8(7) . . ?
C15' C9 C10 123.2(8) . . ?
C17 C9 C10 117.7(6) . . ?
C13 C9 C10 101.4(4) . . ?
C15' C9 C15 30.5(7) . . ?
C17 C9 C15 98.5(7) . . ?
C13 C9 C15 109.6(6) . . ?
C10 C9 C15 108.4(6) . . ?
C15' C9 C17' 93.1(10) . . ?
C17 C9 C17' 25.3(6) . . ?
C13 C9 C17' 105.0(8) . . ?
C10 C9 C17' 106.6(8) . . ?
C15 C9 C17' 123.6(8) . . ?
C11 C10 C1 119.9(4) . . ?
C11 C10 C9 110.6(4) . . ?
C1 C10 C9 129.4(4) . . ?
C10 C11 C4 120.5(4) . . ?
C10 C11 C12 108.9(4) . . ?
C4 C11 C12 130.6(4) . . ?
C5 C12 C13 121.0(4) . . ?
C5 C12 C11 130.5(4) . . ?
C13 C12 C11 108.4(4) . . ?
C8 C13 C12 120.1(4) . . ?
C8 C13 C9 129.3(4) . . ?
C12 C13 C9 110.6(4) . . ?
O2 C18 O1 125.5(4) . . ?
O2 C18 C2 116.7(4) . . ?
O1 C18 C2 117.8(4) . . ?
O4 C19 O3 125.3(4) . . ?
O4 C19 C7 118.1(4) . . ?
O3 C19 C7 116.5(4) . . ?
N1 C20 C21 122.8(6) . . ?
N1 C20 H20A 118.6 . . ?
C21 C20 H20A 118.6 . . ?
C22 C21 C20 119.1(6) . . ?
C22 C21 H21A 120.4 . . ?
C20 C21 H21A 120.4 . . ?
C21 C22 C23 118.7(6) . . ?
C21 C22 C25 119.9(6) . . ?
C23 C22 C25 121.3(6) . . ?
C24 C23 C22 118.0(7) . . ?
C24 C23 H23A 121.0 . . ?
C22 C23 H23A 121.0 . . ?
N1 C24 C23 123.5(6) . . ?
N1 C24 H24A 118.3 . . ?
C23 C24 H24A 118.3 . . ?
N2 C25 C22 119.8(7) . . ?
N2 C25 H25A 120.1 . . ?
C22 C25 H25A 120.1 . . ?
N3 C26 C27 120.1(7) . . ?
N3 C26 H26A 119.9 . . ?
C27 C26 H26A 119.9 . . ?
C31 C27 C28 118.5(6) . . ?
C31 C27 C26 121.2(7) . . ?
C28 C27 C26 120.3(6) . . ?
C29 C28 C27 118.8(6) . . ?
C29 C28 H28A 120.6 . . ?
C27 C28 H28A 120.6 . . ?
N4 C29 C28 122.6(6) . . ?
N4 C29 H29A 118.7 . . ?
C28 C29 H29A 118.7 . . ?
N4 C30 C31 123.1(6) . . ?
N4 C30 H30A 118.4 . . ?
C31 C30 H30A 118.4 . . ?
C27 C31 C30 118.9(6) . . ?
C27 C31 H31A 120.6 . . ?
C30 C31 H31A 120.6 . . ?
C20 N1 C24 118.0(5) . . ?
C20 N1 Zn1 124.1(4) . . ?
C24 N1 Zn1 118.0(4) . . ?
C25 N2 N3 110.8(7) . . ?
C26 N3 N2 111.9(7) . . ?
C30 N4 C29 118.2(5) . . ?
C30 N4 Zn2 124.3(4) . . ?
C29 N4 Zn2 117.5(4) . . ?
C18 O1 Zn1 116.3(3) . . ?
C18 O2 Zn1 138.8(3) . 5_756 ?
C19 O3 Zn2 130.7(3) . 3_655 ?
C19 O4 Zn2 123.3(3) . 7_657 ?
C15 C14 H14A 109.5 . . ?
C15 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C15 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C14 C15 C9 115.2(9) . . ?
C14 C15 H15A 108.5 . . ?
C9 C15 H15A 108.5 . . ?
C14 C15 H15B 108.5 . . ?
C9 C15 H15B 108.5 . . ?
H15A C15 H15B 107.5 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C17 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C9 C17 C16 104.5(9) . . ?
C9 C17 H17A 110.8 . . ?
C16 C17 H17A 110.8 . . ?
C9 C17 H17B 110.8 . . ?
C16 C17 H17B 110.8 . . ?
H17A C17 H17B 108.9 . . ?
C15' C14' H14D 109.5 . . ?
C15' C14' H14E 109.5 . . ?
H14D C14' H14E 109.5 . . ?
C15' C14' H14F 109.5 . . ?
H14D C14' H14F 109.5 . . ?
H14E C14' H14F 109.5 . . ?
C9 C15' C14' 95.4(13) . . ?
C9 C15' H15C 112.7 . . ?
C14' C15' H15C 112.7 . . ?
C9 C15' H15D 112.7 . . ?
C14' C15' H15D 112.7 . . ?
H15C C15' H15D 110.2 . . ?
C17' C16' H16D 109.5 . . ?
C17' C16' H16E 109.5 . . ?
H16D C16' H16E 109.5 . . ?
C17' C16' H16F 109.5 . . ?
H16D C16' H16F 109.5 . . ?
H16E C16' H16F 109.5 . . ?
C16' C17' C9 117.4(12) . . ?
C16' C17' H17C 107.9 . . ?
C9 C17' H17C 107.9 . . ?
C16' C17' H17D 107.9 . . ?
C9 C17' H17D 107.9 . . ?
H17C C17' H17D 107.2 . . ?
O5 C32 N5 143(3) . . ?
C32 N5 C32 121(3) . 2_656 ?
C32 N5 C33 119.3(14) . . ?
C32 N5 C33 119.3(14) 2_656 . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O1 2.029(3) . ?
Zn1 O1 2.029(3) 6 ?
Zn1 N1 2.033(5) . ?
Zn1 O2 2.044(3) 5_756 ?
Zn1 O2 2.044(3) 2_756 ?
Zn1 Zn1 2.9533(11) 5_756 ?
Zn2 O3 2.019(3) 3_345 ?
Zn2 O3 2.019(3) 8_355 ?
Zn2 N4 2.034(5) . ?
Zn2 O4 2.040(3) 7_657 ?
Zn2 O4 2.040(3) 4_647 ?
Zn2 Zn2 2.9127(11) 5_557 ?
C1 C10 1.388(6) . ?
C1 C2 1.388(6) . ?
C1 H1A 0.9500 . ?
C2 C3 1.379(6) . ?
C2 C18 1.501(6) . ?
C3 C4 1.380(7) . ?
C3 H3A 0.9500 . ?
C4 C11 1.384(6) . ?
C4 H4A 0.9500 . ?
C5 C6 1.375(6) . ?
C5 C12 1.384(6) . ?
C5 H5A 0.9500 . ?
C6 C7 1.391(6) . ?
C6 H6A 0.9500 . ?
C7 C8 1.392(6) . ?
C7 C19 1.503(6) . ?
C8 C13 1.378(6) . ?
C8 H8A 0.9500 . ?
C9 C15' 1.398(14) . ?
C9 C17 1.432(12) . ?
C9 C13 1.514(6) . ?
C9 C10 1.515(6) . ?
C9 C15 1.619(13) . ?
C9 C17' 1.652(15) . ?
C10 C11 1.382(6) . ?
C11 C12 1.459(6) . ?
C12 C13 1.389(6) . ?
C18 O2 1.252(5) . ?
C18 O1 1.258(5) . ?
C19 O4 1.255(5) . ?
C19 O3 1.259(5) . ?
C20 N1 1.328(7) . ?
C20 C21 1.379(8) . ?
C20 H20A 0.9500 . ?
C21 C22 1.368(9) . ?
C21 H21A 0.9500 . ?
C22 C23 1.403(10) . ?
C22 C25 1.486(9) . ?
C23 C24 1.366(9) . ?
C23 H23A 0.9500 . ?
C24 N1 1.338(8) . ?
C24 H24A 0.9500 . ?
C25 N2 1.273(10) . ?
C25 H25A 0.9500 . ?
C26 N3 1.253(10) . ?
C26 C27 1.472(9) . ?
C26 H26A 0.9500 . ?
C27 C31 1.365(10) . ?
C27 C28 1.392(10) . ?
C28 C29 1.381(9) . ?
C28 H28A 0.9500 . ?
C29 N4 1.331(8) . ?
C29 H29A 0.9500 . ?
C30 N4 1.322(8) . ?
C30 C31 1.386(9) . ?
C30 H30A 0.9500 . ?
C31 H31A 0.9500 . ?
N2 N3 1.408(9) . ?
O2 Zn1 2.044(3) 5_756 ?
O3 Zn2 2.019(3) 3_655 ?
O4 Zn2 2.040(3) 7_657 ?
C14 C15 1.542(13) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.490(13) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C14' C15' 1.522(16) . ?
C14' H14D 0.9800 . ?
C14' H14E 0.9800 . ?
C14' H14F 0.9800 . ?
C15' H15C 0.9900 . ?
C15' H15D 0.9900 . ?
C16' C17' 1.574(16) . ?
C16' H16D 0.9800 . ?
C16' H16E 0.9800 . ?
C16' H16F 0.9800 . ?
C17' H17C 0.9900 . ?
C17' H17D 0.9900 . ?
C32 O5 1.19(3) . ?
C32 N5 1.31(2) . ?
C33 N5 1.57(4) . ?
N5 C32 1.31(2) 2_656 ?
